1-[(5-Phenyl-2,3-dihydro-1-benzothiepin-4-yl)methyl]piperidine
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Basic information
- Standard SMILES
c1ccc(C2=C(CN3CCCCC3)CCSc3ccccc32)cc1- InChIKey
XPMHIFSUJOBICL-UHFFFAOYSA-N- Molecular formula
- C22H25NS
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.17077098
Names & identifiers
- Preferred name
- 1-[(5-Phenyl-2,3-dihydro-1-benzothiepin-4-yl)methyl]piperidine
- IUPAC
- 1-[(5-phenyl-2,3-dihydro-1-benzothiepin-4-yl)methyl]piperidine
Database identifiers
- PubChem CID
- 210833
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
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Compound notes
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